N-(2,5-dimethoxyphenyl)-4-phenylbutanamide

C18H21NO3 — CID 836363

IUPACN-(2,5-dimethoxyphenyl)-4-phenylbutanamide
SMILESCOc1ccc(OC)c(NC(=O)CCCc2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-21-15-11-12-17(22-2)16(13-15)19-18(20)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,19,20)
InChIKeyJJMZYVQTZIVKHE-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.67
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-4-phenylbutanamide

N-(2,5-dimethoxyphenyl)-4-phenylbutanamide (PubChem CID 836363) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-phenylbutanamide
PubChem CID836363
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(2,5-dimethoxyphenyl)-4-phenylbutanamide
SMILESCOc1ccc(OC)c(NC(=O)CCCc2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-21-15-11-12-17(22-2)16(13-15)19-18(20)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,19,20)
InChIKeyJJMZYVQTZIVKHE-UHFFFAOYSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-phenylbutanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-phenylbutanamide (CID 836363) is N-(2,5-dimethoxyphenyl)-4-phenylbutanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-phenylbutanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-phenylbutanamide is COc1ccc(OC)c(NC(=O)CCCc2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-phenylbutanamide?
The InChIKey is JJMZYVQTZIVKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-15-11-12-17(22-2)16(13-15)19-18(20)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-phenylbutanamide?
N-(2,5-dimethoxyphenyl)-4-phenylbutanamide has a molecular weight of 299.37 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-phenylbutanamide is sourced from PubChem (CID 836363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).